4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]butanoic acid IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoic acid Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]butyric acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCCCC(=O)O

InChI

InChI=1S/C20H21N3O2S/c1-14-5-9-16(10-6-14)19-21-22-20(26-13-3-4-18(24)25)23(19)17-11-7-15(2)8-12-17/h5-12H,3-4,13H2,1-2H3,(H,24,25)